3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine

C6H14FNO2S — CID 81202390

IUPAC3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CCF
InChIInChI=1S/C6H14FNO2S/c1-6(4-8)5-11(9,10)3-2-7/h6H,2-5,8H2,1H3
InChIKeyZZRZSOFSLGDLMP-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.03
Rot. Bonds5

About 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine

3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine (PubChem CID 81202390) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine
PubChem CID81202390
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CCF
InChIInChI=1S/C6H14FNO2S/c1-6(4-8)5-11(9,10)3-2-7/h6H,2-5,8H2,1H3
InChIKeyZZRZSOFSLGDLMP-UHFFFAOYSA-N
XLogP-0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine (CID 81202390) is 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)CCF.
What is the InChIKey of 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is ZZRZSOFSLGDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(4-8)5-11(9,10)3-2-7/h6H,2-5,8H2,1H3.
What are the key properties of 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine?
3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 183.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81202390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).